1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate
TL;DR: 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate (CAS 717-47-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) acetate
Also Known As: 4-Acetoxy-2-tert-butylphenol, tert-Butylhydroquinone 4-acetate, 3-tert-butyl-4-hydroxyphenyl acetate, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate, (3-tert-butyl-4-hydroxyphenyl) acetate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 717-47-5 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)O)C(C)(C)C |
| InChIKey | DSIBRHDTGCDPAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate (CAS 717-47-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) acetate.
Chemical Property Profile of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate
Property Insights of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate?
The CAS number of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate is 717-47-5.
What is the molecular formula of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate?
The molecular formula of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate is C12H16O3.
What is the molecular weight of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate?
The molecular weight of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate is 208.11 g/mol.
Where can I buy 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate?
You can request a quote for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.